(1Z,3E)-3-[(1Z)-3-(4-fluoro-3-methylphenyl)-1-hydrazinyl-1-(4-methylpiperazin-1-yl)buta-1,3-dien-2-yl]hexa-1,3,5-trien-1-amine

C22H30FN5 — CID 89331666

IUPAC(1Z,3E)-3-[(1Z)-3-(4-fluoro-3-methylphenyl)-1-hydrazinyl-1-(4-methylpiperazin-1-yl)buta-1,3-dien-2-yl]hexa-1,3,5-trien-1-amine
SMILESC=C/C=C(\C=C/N)C(/C(=C)c1ccc(F)c(C)c1)=C(/NN)N1CCN(C)CC1
InChIInChI=1S/C22H30FN5/c1-5-6-18(9-10-24)21(17(3)19-7-8-20(23)16(2)15-19)22(26-25)28-13-11-27(4)12-14-28/h5-10,15,26H,1,3,11-14,24-25H2,2,4H3/b10-9-,18-6+,22-21-
InChIKeyGFJNVBRZOBMXQS-PZBCDNIQSA-N
MW383.52 g/mol
LogP2.65
Rot. Bonds7

About (1Z,3E)-3-[(1Z)-3-(4-fluoro-3-methylphenyl)-1-hydrazinyl-1-(4-methylpiperazin-1-yl)buta-1,3-dien-2-yl]hexa-1,3,5-trien-1-amine

(1Z,3E)-3-[(1Z)-3-(4-fluoro-3-methylphenyl)-1-hydrazinyl-1-(4-methylpiperazin-1-yl)buta-1,3-dien-2-yl]hexa-1,3,5-trien-1-amine (PubChem CID 89331666) has the molecular formula C22H30FN5 and a molecular weight of 383.52 g/mol. Its IUPAC name is (1Z,3E)-3-[(1Z)-3-(4-fluoro-3-methylphenyl)-1-hydrazinyl-1-(4-methylpiperazin-1-yl)buta-1,3-dien-2-yl]hexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3E)-3-[(1Z)-3-(4-fluoro-3-methylphenyl)-1-hydrazinyl-1-(4-methylpiperazin-1-yl)buta-1,3-dien-2-yl]hexa-1,3,5-trien-1-amine
PubChem CID89331666
Molecular FormulaC22H30FN5
Molecular Weight383.52 g/mol
Exact Mass383.25
IUPAC Name(1Z,3E)-3-[(1Z)-3-(4-fluoro-3-methylphenyl)-1-hydrazinyl-1-(4-methylpiperazin-1-yl)buta-1,3-dien-2-yl]hexa-1,3,5-trien-1-amine
SMILESC=C/C=C(\C=C/N)C(/C(=C)c1ccc(F)c(C)c1)=C(/NN)N1CCN(C)CC1
InChIInChI=1S/C22H30FN5/c1-5-6-18(9-10-24)21(17(3)19-7-8-20(23)16(2)15-19)22(26-25)28-13-11-27(4)12-14-28/h5-10,15,26H,1,3,11-14,24-25H2,2,4H3/b10-9-,18-6+,22-21-
InChIKeyGFJNVBRZOBMXQS-PZBCDNIQSA-N
XLogP2.65
TPSA70.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (1Z,3E)-3-[(1Z)-3-(4-fluoro-3-methylphenyl)-1-hydrazinyl-1-(4-methylpiperazin-1-yl)buta-1,3-dien-2-yl]hexa-1,3,5-trien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-3-[(1Z)-3-(4-fluoro-3-methylphenyl)-1-hydrazinyl-1-(4-methylpiperazin-1-yl)buta-1,3-dien-2-yl]hexa-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3E)-3-[(1Z)-3-(4-fluoro-3-methylphenyl)-1-hydrazinyl-1-(4-methylpiperazin-1-yl)buta-1,3-dien-2-yl]hexa-1,3,5-trien-1-amine (CID 89331666) is (1Z,3E)-3-[(1Z)-3-(4-fluoro-3-methylphenyl)-1-hydrazinyl-1-(4-methylpiperazin-1-yl)buta-1,3-dien-2-yl]hexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3E)-3-[(1Z)-3-(4-fluoro-3-methylphenyl)-1-hydrazinyl-1-(4-methylpiperazin-1-yl)buta-1,3-dien-2-yl]hexa-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3E)-3-[(1Z)-3-(4-fluoro-3-methylphenyl)-1-hydrazinyl-1-(4-methylpiperazin-1-yl)buta-1,3-dien-2-yl]hexa-1,3,5-trien-1-amine is C=C/C=C(\C=C/N)C(/C(=C)c1ccc(F)c(C)c1)=C(/NN)N1CCN(C)CC1.
What is the InChIKey of (1Z,3E)-3-[(1Z)-3-(4-fluoro-3-methylphenyl)-1-hydrazinyl-1-(4-methylpiperazin-1-yl)buta-1,3-dien-2-yl]hexa-1,3,5-trien-1-amine?
The InChIKey is GFJNVBRZOBMXQS-PZBCDNIQSA-N. The full InChI is InChI=1S/C22H30FN5/c1-5-6-18(9-10-24)21(17(3)19-7-8-20(23)16(2)15-19)22(26-25)28-13-11-27(4)12-14-28/h5-10,15,26H,1,3,11-14,24-25H2,2,4H3/b10-9-,18-6+,22-21-.
What are the key properties of (1Z,3E)-3-[(1Z)-3-(4-fluoro-3-methylphenyl)-1-hydrazinyl-1-(4-methylpiperazin-1-yl)buta-1,3-dien-2-yl]hexa-1,3,5-trien-1-amine?
(1Z,3E)-3-[(1Z)-3-(4-fluoro-3-methylphenyl)-1-hydrazinyl-1-(4-methylpiperazin-1-yl)buta-1,3-dien-2-yl]hexa-1,3,5-trien-1-amine has a molecular weight of 383.52 g/mol, XLogP of 2.65, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-3-[(1Z)-3-(4-fluoro-3-methylphenyl)-1-hydrazinyl-1-(4-methylpiperazin-1-yl)buta-1,3-dien-2-yl]hexa-1,3,5-trien-1-amine is sourced from PubChem (CID 89331666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).